ethyl (9E,12E)-octadeca-9,12-dienoate

Base Information

• Chemical Name: ethyl (9E,12E)-octadeca-9,12-dienoate
• CAS No.: 6114-21-2
• Molecular Formula: C₂₀H₃₆O₂
• Molecular Weight: 308.505
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID8046820
• Nikkaji Number: J699.471G,J2.145.591A
• Mol file: 6114-21-2.mol

Synonyms:6114-21-2;9,12-Octadecadienoic acid, ethyl ester;ethyl (9E,12E)-octadeca-9,12-dienoate;DTXSID8046820;NCGC00181039-01;DELTA 9-TRANS 12-TRANS OCTADECADIENOIC ACID ETHYL ESTER;Ethyl 9,12-octadecadienoic acid (9E,12E);Ethyl linolelaidate;DTXCID50210157;CAS-6114-21-2;(9Z,12Z)-Ethyl octadeca-9,12-dienoate;Ethyl-9,12-octadecadienoate;Ethyl octadec-9,12-dienoate;SCHEMBL2019416;FMMOOAYVCKXGMF-MVKOLZDDSA-N;Ethyl linolelaidate, ~99%, liquid;Tox21_112687;Ethyl 9(E),12(E)-octadecadienoate;Tox21_112687_1;NCGC00181039-02;Ethyl (9E,12E)-9,12-octadecadienoate;PD165848;(9E,12E)-ethyl octadeca-9,12-dienoate;(9E,12E)-9,12-Octadecadienoic acid ethyl ester;SR-01000944929;SR-01000944929-1;3-(AMINOMETHYL)-N,N-DIISOPROPYLBENZENESULFONAMIDE

Chemical Property of ethyl (9E,12E)-octadeca-9,12-dienoate

Chemical Property:

• PSA: 26.30000
• Density: 0.87 g/mL at 25oC(lit.)
• LogP: 6.36300
• Storage Temp.: −20°C
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 308.271530387
• Heavy Atom Count: 22
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

ETHYL LINOLELAIDATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC
• Isomeric SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC

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